UCSF

ZINC38776431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.02 14.28 -60.84 2 6 1 63 528.727 6
Mid Mid (pH 6-8) 6.02 12.07 -15.63 1 6 0 61 527.719 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )